Information card for entry 4115324

Structure parameters

• Formula: C18 H34 Mo N P3
• Calculated formula: C18 H34 Mo N P3
• SMILES: [Mo]12345([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[c]67cccn[c]57[cH]4[cH]3[cH]2[cH]16
• Title of publication: The Reactivity of Mo(PMe3)6 towards Heterocyclic Nitrogen Compounds: Transformations Relevant to Hydrodenitrogenation
• Authors of publication: Guang Zhu; Joseph M. Tanski; David G. Churchill; Kevin E. Janak; Gerard Parkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13658 - 13659
• a: 14.891 ± 0.002 Å
• b: 18.871 ± 0.003 Å
• c: 16.272 ± 0.003 Å
• α: 90°
• β: 104.604 ± 0.003°
• γ: 90°
• Cell volume: 4424.8 ± 1.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No